Molecule ID: mol14142

SMILES: NCCCCc1cccnc1

InChI: InChI=1S/C9H14N2/c10-6-2-1-4-9-5-3-7-11-8-9/h3,5,7-8H,1-2,4,6,10H2

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
5.52 QSARToolbox 2 » 1
5.52 Datawarrior 2 » 1
10.16 Datawarrior 1 » 0
10.16 OCHEM 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization